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ENAMINE-ZINC02744925

 MMsINC code: MMs01287183
Type: Neutral
Formula: C10H14FNO3S
SMILES:   S(=O)(=O)(NCCCOC)c1ccc(F)cc1
InChI:   InChI=1/C10H14FNO3S/c1-15-8-2-7-12-16(13,14)10-5-3-9(11)4-6-10/h3-6,12H,2,7-8H2,1H3

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Potential Energy
Epot(MMFF94)=6.69067 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 247.29 g/mol  logS: -1.86225  SlogP: 1.1405  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0848675  Sterimol/B1: 3.14476  Sterimol/B2: 3.21561  Sterimol/B3: 4.27348
  Sterimol/B4: 5.86051  Sterimol/L: 14.1601 
 
 Surface and Volume Properties
  Accessible surface: 462.075  Positive charged surface: 287.785  Negative charged surface: 174.29  Volume: 216.875
  Hydrophobic surface: 368.503  Hydrophilic surface: 93.572
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.